Geometry & MOs

Info

ID:	443725
PubChem CID:	135259857
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	447.131837
ΔH_f, kcal/mol:	-81.41
Dipole, Da:	7.93
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=C(C=C2)C(=O)O)C)C(=O)N(C)C3=CC=CC=C3

DOS

IR

Vibrations